MolNFT v1 · #139000 · protein
Ppka-294 with ATP and MNCL2
5X1Q: “Ppka-294 with ATP and MNCL2”. X-ray diffraction, 2 ligands (ATP, MN), 2 pockets (best druggability 0.70). MolNFT v1 #139000 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5X1Q
- Type
- protein
- Length
- 283 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ppka-294
- Ligands
- ATP, MN
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ppka-294 | protein | 283 | 40% helix, 20% strand | — |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MN · Manganese (II) ion · metal
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.70 | 0.82 | 39 | ATP, GOL |
| 2 | 114 | 0.38 | 0.74 | 18 | empty |
Compared structures
- 5X1Q · PpkA-294 with ATP and MnCl2 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 5X1Q · PDBe 5X1Q
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